REMARK  Name = BDB028610
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.587   0.866  -1.343  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.798   0.631  -1.138  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.174   1.633  -0.265  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.463   1.808   0.224  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        3.431   0.886  -0.212  0.00  0.00    -0.019 A 
ATOM      6  C   LIG    1        3.073  -0.152  -1.098  0.00  0.00    +0.052 A 
ATOM      7  O   LIG    1        0.093   2.401   0.032  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        1.758  -0.301  -1.579  0.00  0.00    +0.135 A 
ATOM      9  N   LIG    1       -1.016   1.919  -0.642  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -1.387   0.078  -2.159  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -0.993  -0.792  -2.512  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -3.055   0.137  -2.187  0.00  0.00    +0.081 S 
ATOM     13  O   LIG    1       -3.487  -1.053  -2.897  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -3.426   1.449  -2.675  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -3.001  -1.140   0.243  0.00  0.00    +0.151 A 
ATOM     16  C   LIG    1       -3.544  -0.077  -0.496  0.00  0.00    +0.191 A 
ATOM     17  C   LIG    1       -4.462   0.781   0.116  0.00  0.00    +0.151 A 
ATOM     18  C   LIG    1       -4.817   0.592   1.458  0.00  0.00    +0.063 A 
ATOM     19  C   LIG    1       -4.231  -0.434   2.194  0.00  0.00    +0.025 A 
ATOM     20 BR   LIG    1       -4.689  -0.665   4.013  0.00  0.00    -0.050 Br
ATOM     21  C   LIG    1       -3.320  -1.299   1.596  0.00  0.00    +0.063 A 
BRANCH  15  23
ATOM     22  C   LIG    1       -2.681  -3.301  -0.507  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1       -2.100  -2.006  -0.323  0.00  0.00    -0.493 OA
ENDBRANCH  15  23
BRANCH  17  24
ATOM     24  O   LIG    1       -5.132   1.742  -0.589  0.00  0.00    -0.493 OA
ATOM     25  C   LIG    1       -4.671   3.053  -0.251  0.00  0.00    +0.277 C 
ENDBRANCH  17  24
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   8  26
ATOM     26  O   LIG    1        1.329  -1.283  -2.430  0.00  0.00    -0.494 OA
ATOM     27  C   LIG    1        2.314  -2.162  -2.962  0.00  0.00    +0.277 C 
ENDBRANCH   8  26
BRANCH   5  28
ATOM     28  C   LIG    1        4.854   1.007   0.288  0.00  0.00    +0.178 C 
BRANCH  28  29
ATOM     29  N   LIG    1        4.968   0.586   1.677  0.00  0.00    -0.267 N 
ATOM     30  N   LIG    1        4.978   1.507   2.664  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        5.107   0.779   3.775  0.00  0.00    +0.134 A 
ATOM     32  C   LIG    1        5.193  -0.599   3.506  0.00  0.00    +0.041 A 
ATOM     33  C   LIG    1        5.108  -0.694   2.137  0.00  0.00    +0.108 A 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 8